Geometry & MOs

Info

ID:	69027
PubChem CID:	46515873
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	433.156848
ΔH_f, kcal/mol:	-108.6
Dipole, Da:	3.01
IP(EA), eV:	-8.92(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)C3CCCN(C3)C(=O)C4=CC=CO4

DOS

IR

Vibrations